MolNFT v1 · #91531 · protein
Crystal structure of bacillus subtilis expansin (EXLX1) in complex with cellotetraose
4FG2 · Expansin-yoaj: “Crystal structure of bacillus subtilis expansin (EXLX1) in complex with cellotetraose”. X-ray diffraction, 1 ligand (BGC), 2 pockets (best druggability 0.51). MolNFT v1 #91531 on GenesisL1: 3D structure, binding…
- PDB
- 4FG2
- Type
- protein
- Length
- 414 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Expansin-yoaj
- UniProt
- O34918
- Ligands
- BGC
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Expansin-yoaj | protein | 207 | 7% helix, 40% strand | O34918 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 4 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 272 | 0.51 | 0.74 | 26 | BGC |
| 2 | 99 | 0.37 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 39 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4FG2 · Crystal structure of Bacillus Subtilis expansin (EXLX1) in complex with cellotetraose · the same entry in another collection · chain A against A, TM-score 1.00
- O34918 · AlphaFold monomer V2.0 prediction for expansin-yoaj (O34918) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O34918
- Elsewhere: RCSB PDB 4FG2 · PDBe 4FG2 · UniProt O34918
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